CID 12321963

N-ethylcarbamoyl chloride

Structural Information

Molecular Formula
C3H6ClNO
SMILES
CCNC(=O)Cl
InChI
InChI=1S/C3H6ClNO/c1-2-5-3(4)6/h2H2,1H3,(H,5,6)
InChIKey
PJLHXSBKGRJXHA-UHFFFAOYSA-N
Compound name
N-ethylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

215
Patents

107.013794 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.02107 117.2
[M+Na]+ 130.00301 125.7
[M-H]- 106.00652 117.9
[M+NH4]+ 125.04762 140.8
[M+K]+ 145.97695 124.3
[M+H-H2O]+ 90.011054 114.0
[M+HCOO]- 152.01200 137.9
[M+CH3COO]- 166.02764 168.0
[M+Na-2H]- 127.98846 124.4
[M]+ 107.01325 118.3
[M]- 107.01434 118.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe